CID 618

1-o-phosphonohexitol

Structural Information

Molecular Formula
C6H15O9P
SMILES
C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
InChI
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)
InChIKey
GACTWZZMVMUKNG-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentahydroxyhexyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

114
References

3889
Patents

262.04538 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05266 156.2
[M+Na]+ 285.03460 158.4
[M-H]- 261.03810 145.3
[M+NH4]+ 280.07920 167.5
[M+K]+ 301.00854 159.1
[M+H-H2O]+ 245.04264 149.3
[M+HCOO]- 307.04358 170.9
[M+CH3COO]- 321.05923 180.3
[M+Na-2H]- 283.02005 152.8
[M]+ 262.04483 154.6
[M]- 262.04593 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe